CID 6447064

70842-93-2

Structural Information

Molecular Formula
C21H23N5O4
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)/C=C/C4=COC=C4)N)OC
InChI
InChI=1S/C21H23N5O4/c1-28-17-11-15-16(12-18(17)29-2)23-21(24-20(15)22)26-8-6-25(7-9-26)19(27)4-3-14-5-10-30-13-14/h3-5,10-13H,6-9H2,1-2H3,(H2,22,23,24)/b4-3+
InChIKey
NNMCIWBYFKCLHG-ONEGZZNKSA-N
Compound name
(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(furan-3-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

409.17502 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.18230 198.3
[M+Na]+ 432.16424 211.4
[M+NH4]+ 427.20884 202.7
[M+K]+ 448.13818 207.7
[M-H]- 408.16774 202.7
[M+Na-2H]- 430.14969 203.2
[M]+ 409.17447 201.1
[M]- 409.17557 201.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe